2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine

C9H11N3S2 — CID 82146821

IUPAC2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
SMILESCC(CN)Sc1ncnc2sccc12
InChIInChI=1S/C9H11N3S2/c1-6(4-10)14-9-7-2-3-13-8(7)11-5-12-9/h2-3,5-6H,4,10H2,1H3
InChIKeyDGKGNMAUBSDMIQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.13
Rot. Bonds3

About 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine

2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine (PubChem CID 82146821) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
PubChem CID82146821
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
SMILESCC(CN)Sc1ncnc2sccc12
InChIInChI=1S/C9H11N3S2/c1-6(4-10)14-9-7-2-3-13-8(7)11-5-12-9/h2-3,5-6H,4,10H2,1H3
InChIKeyDGKGNMAUBSDMIQ-UHFFFAOYSA-N
XLogP2.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
CID 7889352
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 40764470
2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid
CID 64914745
(2R)-N-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889375
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 7889429
(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 7889332
1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
CID 63196630
thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid
CID 121352873
(2R)-3-(4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
CID 40952467
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889406
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 8522992

Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine (CID 82146821) is 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine is CC(CN)Sc1ncnc2sccc12.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine?
The InChIKey is DGKGNMAUBSDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6(4-10)14-9-7-2-3-13-8(7)11-5-12-9/h2-3,5-6H,4,10H2,1H3.
What are the key properties of 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine?
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine is sourced from PubChem (CID 82146821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).